Farnesyltranseferase inhibitors (FTIs) are one of the most promising classes of anticancer agents, but though some compounds in this category are in clinical trials there are no marketed drugs in this class yet. Quantitative structure activity relationship (QSAR) models can be used for predicting the activity of FTI candidates in early stages of drug discovery. In this study 192 imidazole-conta...

Sets of time domain reflectometry waveforms analyzed with appropriate chemometric methods, instead of typical single waveform analysis, enable one to detect and quantify differences between waveforms, even if they appear at the level of several orders of magnitude below the scale of the measurements. Typical applications of such an approach to samples of healthy and damaged grain showed that di...

Traditionally, wines are produced in temperate climate zones, with one harvest per year. Tropical wines are a new concept of vitiviniculture that is being developed, principally in Brazil. The new Brazilian frontier is located in the northeast region (São Francisco River Valley) in Pernambuco State, close to the equator, between 8 and 9 degrees S. Compared with other Brazilian and worldwide vin...

This present study aims to identify the key bioactive components in acorus tatarinowii rhizoma (ATR), a traditional Chinese medicine (TCM) with various bioactivities. Partial least squares regression (PLSR) was employed to describe the relationship between the radical scavenging activity and the volatile components. The PLSR model was improved by outlier elimination and variable selection and w...

Quantitative structure activity relationship (QSAR) models can be used to predict the activity of new drug candidates in early stages of drug discovery. In the present study, the information of the ninety two 2,5-diaminobenzophenone-containing farnesyltranaferase inhibitors (FTIs) were taken from the literature. Subsequently, the structures of the molecules were optimized using Hyperchem softwa...

Maiara S. Santos*, Edenir R. Pereira-Filho e Antonio G. Ferreira Departamento de Química, Universidade Federal de São Carlos, CP 676, 13560-970 São Carlos – SP, Brasil Elisangela F. Boffo Instituto de Química, Universidade Federal da Bahia, 40170-115 Salvador – BA, Brasil Glyn M. Figueira Centro Pluridisciplinar de Pesquisas Químicas, Biológicas e Agrícolas, Universidade Estadual de Campinas, C...